2-Ethyl-4-nitrobenzoxazole - CAS 477603-34-2
Catalog: |
BB026393 |
Product Name: |
2-Ethyl-4-nitrobenzoxazole |
CAS: |
477603-34-2 |
Synonyms: |
2-ethyl-4-nitro-1,3-benzoxazole; 2-ethyl-4-nitro-1,3-benzoxazole |
IUPAC Name: | 2-ethyl-4-nitro-1,3-benzoxazole |
Description: | 2-Ethyl-4-nitrobenzoxazole (CAS# 477603-34-2) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C9H8N2O3 |
Canonical SMILES: | CCC1=NC2=C(C=CC=C2O1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O3/c1-2-8-10-9-6(11(12)13)4-3-5-7(9)14-8/h3-5H,2H2,1H3 |
InChI Key: | RXERROAGDLLQDA-UHFFFAOYSA-N |
MDL: | MFCD09864802 |
LogP: | 2.82160 |
Publication Number | Title | Priority Date |
EP-3178810-A1 | Condensed heterocyclic compound | 20140808 |
JP-WO2016021706-A1 | Fused heterocyclic compounds | 20140808 |
US-2017298081-A1 | Condensed heterocyclic compound | 20140808 |
WO-2016021706-A1 | Condensed heterocyclic compound | 20140808 |
EP-1641453-A2 | Product containing at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent | 20030625 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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